Datasets:
Modalities:
Image
Size:
n<1K
Tags:
chemistry
ionic-liquids
thermodynamics
activity-coefficients
molecular-property-prediction
cosmo-rs
DOI:
License:
COSMOBridge: dataset, frozen predictions, DFT outputs, checkpoints and analysis scripts
a5ae347 verified | { | |
| "train_ils": [ | |
| "AMIMCl", | |
| "BMIMBr", | |
| "BMIMCl", | |
| "BMIMHSO4", | |
| "BMIMLAC", | |
| "BMIMMESO4", | |
| "ChHSO4", | |
| "ChLAC", | |
| "ChOAc", | |
| "DMBACl", | |
| "DMBAHSO4", | |
| "EMIMCl", | |
| "EMIMHSO4", | |
| "EMIMLAC", | |
| "MMIMLAC", | |
| "N11H2OHLAC", | |
| "N11H2OHOAc", | |
| "TEAHSO4", | |
| "TEALAC" | |
| ], | |
| "val_ils": [ | |
| "EMIMMeSO4", | |
| "EOAOAc", | |
| "TEACl", | |
| "TEALOAc" | |
| ], | |
| "test_ils": [ | |
| "BMIMOAc", | |
| "ChCl", | |
| "ChLys", | |
| "EMIMBr", | |
| "EMIMOAc" | |
| ] | |
| } |